2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C95H137N19S5 — CID 160822998

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 160822998) has the molecular formula C95H137N19S5 and a molecular weight of 1705.61 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
• PubChem CID: 160822998
• Molecular Formula: C95H137N19S5
• Molecular Weight: 1705.61 g/mol
• Exact Mass: 1703.99
• IUPAC Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
• SMILES: C.C.C.C.C.C.C.C.C.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
• InChI: InChI=1S/C11H14N2.C10H13N3.C10H12N2.C10H11NS.C9H11N3.4C9H10N2S.9CH4/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;;;;;;;;;/h4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);3-8H,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;9*1H4
• InChIKey: SFUGBMDNXVKAHS-UHFFFAOYSA-N
• XLogP: 29.83
• TPSA: 233.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.61
LogP ≤ 5	29.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 160822998) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is C.C.C.C.C.C.C.C.C.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)c1cn2ccccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1.

What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

The InChIKey is SFUGBMDNXVKAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H13N3.C10H12N2.C10H11NS.C9H11N3.4C9H10N2S.9CH4/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;;;;;;;;;/h4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);3-8H,1-2H3;2*3-7H,1-2H3;4*3-6H,1-2H3;9*1H4.

What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1705.61 g/mol, XLogP of 29.83, 7 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 160822998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).